Concepedia

Geometry and force constant determination from correlated wave functions for polyatomic molecules: Ground states of H2O and CH2

Donald R. McLaughlin, Charles F. Bender, Henry F. Schaefer

Theoretical Chemistry Accounts · 1972 · 38 citations · 34 references

DOI

Concepts

References

34

New Developments in Molecular Orbital Theory

Clemens Roothaan · Reviews of Modern Physics · 1951 · 5.5K citations

, , +14

Gaussian-Type Functions for Polyatomic Systems. I

Sigeru Huzinaga · The Journal of Chemical Physics · 1965 · 5K citations

, , +12

Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction

Per‐Olov Löwdin · Physical Review · 1955 · 3.6K citations

, , +14

Rotation-Vibration Spectra of Deuterated Water Vapor

W. S. Benedict, N. M. Gailar, Earle K. Plyler · The Journal of Chemical Physics · 1956 · 1.3K citations

, , +12

Electronic Structure of Diatomic Molecules. VI.A. Hartree—Fock Wavefunctions and Energy Quantities for the Ground States of the First-Row Hydrides, AH

Paul E. Cade, Winifred M. Huo · The Journal of Chemical Physics · 1967 · 650 citations

, , +13